N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide

C19H19FN2O2 — CID 110898649

IUPACN-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
SMILESC#Cc1cccc(NC(=O)CN(C)CC(O)c2ccccc2F)c1
InChIInChI=1S/C19H19FN2O2/c1-3-14-7-6-8-15(11-14)21-19(24)13-22(2)12-18(23)16-9-4-5-10-17(16)20/h1,4-11,18,23H,12-13H2,2H3,(H,21,24)
InChIKeyGUOAWTURXCMVQE-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.41
Rot. Bonds6

About N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide

N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide (PubChem CID 110898649) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
PubChem CID110898649
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
SMILESC#Cc1cccc(NC(=O)CN(C)CC(O)c2ccccc2F)c1
InChIInChI=1S/C19H19FN2O2/c1-3-14-7-6-8-15(11-14)21-19(24)13-22(2)12-18(23)16-9-4-5-10-17(16)20/h1,4-11,18,23H,12-13H2,2H3,(H,21,24)
InChIKeyGUOAWTURXCMVQE-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
1-(3-ethynylphenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 75877588
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 110887628
2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
CID 60902359
N-(3-ethynylphenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
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2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 78902898
4-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 47049032
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 110898244
2-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]-N-(3-ethynylphenyl)acetamide
CID 133472822
N-(3-ethynylphenyl)-2-[methyl(1,2,4-thiadiazol-5-yl)amino]acetamide
CID 91651089
2-[(3-ethynylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63064191
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide (CID 110898649) is N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide is C#Cc1cccc(NC(=O)CN(C)CC(O)c2ccccc2F)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide?
The InChIKey is GUOAWTURXCMVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-14-7-6-8-15(11-14)21-19(24)13-22(2)12-18(23)16-9-4-5-10-17(16)20/h1,4-11,18,23H,12-13H2,2H3,(H,21,24).
What are the key properties of N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide?
N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide has a molecular weight of 326.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]-methylamino]acetamide is sourced from PubChem (CID 110898649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).